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Boiling point

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Reference
Endpoint:
boiling point
Type of information:
calculation (if not (Q)SAR)
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
accepted calculation method
Justification for type of information:
Data is from modelling database developed by USEPA
Reference:
Composition 0
Composition 0
Qualifier:
according to
Guideline:
other: as mentioned below
Principles of method if other than guideline:
MPBPVP v1.43 was used to estimate the Boiling point of chemical Acid Yellow 49 (CAS no. 12239-15-5)
GLP compliance:
not specified
Type of method:
other: Estimated by calculation
Test material information:
Composition 1
Specific details on test material used for the study:
- Name of test material: 4-[(5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)azo]-2,5-dichlorobenzenesulphonic acid / Acid Yellow 49
- IUPAC name: 4-[(5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)azo]-2,5-dichlorobenzenesulphonic acid
- Molecular formula: C16H13Cl2N5O3S
- Molecular weight: 426.283 g/mole
- Smiles :n1(c2ccccc2)c(c(\N=N\c2c(cc(S(O)(=O)=O)c(c2)Cl)Cl)c(n1)C)N
- Inchl: 1S/C16H13Cl2N5O3S/c1-9-15(16(19)23(22-9)10-5-3-2-4-6-10)21-20-13-7-12(18)14(8-11(13)17)27(24,25)26/h2-8H,19H2,1H3,(H,24,25,26)/b21-20+
- Substance type: Organic
- Physical state: Solid powder (yellow)
Remarks on result:
other: Estimated value
Conclusions:
Based on prediction done using MPBPVP v1.43, the Boiling point of chemical Acid Yellow 49 (CAS no. 12239-15-5) was estimated to be 613.74 ˚C.
Executive summary:

Based on the prediction done using the EPI Suite MPVPBP V1.43,the Boiling point of chemical Acid Yellow 49 (CAS no. 12239-15-5) was predicted.

The boiling point of chemical Acid Yellow 49 (CAS no. 12239-15-5) was estimated to be 613.74 ˚C.

Description of key information

Based on prediction done using MPBPVP v1.43, the Boiling point of chemical Acid Yellow 49 (CAS no. 12239-15-5) was  estimated to be 613.74 ˚C.

Key value for chemical safety assessment

Boiling point at 101 325 Pa:
613.74 °C

Additional information

Based on the prediction done using the EPI Suite MPVPBP V1.43,the Boiling point of chemical Acid Yellow 49 (CAS no. 12239-15-5) was predicted.

The boiling point of chemical Acid Yellow 49 (CAS no. 12239-15-5) was estimated to be 613.74 ˚C.